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4-(1-HYDROXY-1-METHOXYCARBONYL-2,2,2-TRIFLUOROETHYL)-1-PHENYL-3-METHYLPYRAZOL-5-ONE
SpectraBase Compound ID 3oQt0sF8nk9
InChI InChI=1S/C14H13F3N2O4/c1-8-10(13(22,12(21)23-2)14(15,16)17)11(20)19(18-8)9-6-4-3-5-7-9/h3-7,18,22H,1-2H3
InChIKey BYYFFXHWQYMWGO-UHFFFAOYSA-N
Mol Weight 330.26 g/mol
Molecular Formula C14H13F3N2O4
Exact Mass 330.082741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FC9AOzxXhEO
Name Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3N2O4
InChI InChI=1S/C14H13F3N2O4/c1-8-10(13(22,12(21)23-2)14(15,16)17)11(20)19(18-8)9-6-4-3-5-7-9/h3-7,18,22H,1-2H3
InChIKey BYYFFXHWQYMWGO-UHFFFAOYSA-N
Molecular Weight 330.263 g/mol
SMILES N1N(C(C(C(C(F)(F)F)(C(=O)OC)O)=C1C)=O)c1ccccc1
SPLASH splash10-0kou-9330000000-21c613f73c0ff0f84f69
Synonyms 3,3,3-trifluoro-2-hydroxy-2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)propionic acid methyl ester 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate Methyl 3,3,3-tris(fluoranyl)-2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-2-oxidanyl-propanoate Propionic acid, 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-, methyl ester
Wiley ID 1438767